1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol

C17H29NO3 — CID 63063515

IUPAC1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
SMILESCCCOc1ccc(CNCC(C)C)c(OCC(C)O)c1
InChIInChI=1S/C17H29NO3/c1-5-8-20-16-7-6-15(11-18-10-13(2)3)17(9-16)21-12-14(4)19/h6-7,9,13-14,18-19H,5,8,10-12H2,1-4H3
InChIKeyOPADQHGVSYTVMH-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.98
Rot. Bonds10

About 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol

1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol (PubChem CID 63063515) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
PubChem CID63063515
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
SMILESCCCOc1ccc(CNCC(C)C)c(OCC(C)O)c1
InChIInChI=1S/C17H29NO3/c1-5-8-20-16-7-6-15(11-18-10-13(2)3)17(9-16)21-12-14(4)19/h6-7,9,13-14,18-19H,5,8,10-12H2,1-4H3
InChIKeyOPADQHGVSYTVMH-UHFFFAOYSA-N
XLogP2.98
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65365461
2-[(2-methylpropylamino)methyl]-5-propoxyphenol
CID 55147776
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol?
The IUPAC name of 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol (CID 63063515) is 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol?
The canonical SMILES for 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol is CCCOc1ccc(CNCC(C)C)c(OCC(C)O)c1.
What is the InChIKey of 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol?
The InChIKey is OPADQHGVSYTVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-8-20-16-7-6-15(11-18-10-13(2)3)17(9-16)21-12-14(4)19/h6-7,9,13-14,18-19H,5,8,10-12H2,1-4H3.
What are the key properties of 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol?
1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol has a molecular weight of 295.42 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol is sourced from PubChem (CID 63063515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).